4-[2-[5-azanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[5-azanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(5-amino-1-benzyl-3-oxo-2H-pyrrol-4-yl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-3-oxo-1-(phenylmethyl)-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(5-amino-1-benzyl-3-oxo-2H-pyrrol-4-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(2-amino-1-benzyl-4-keto-2-pyrrolin-3-yl)thiazol-4-yl]benzonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(=O)C(=C(N1CC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N4OS/c22-10-14-6-8-16(9-7-14)17-13-27-21(24-17)19-18(26)12-25(20(19)23)11-15-4-2-1-3-5-15/h1-9,13H,11-12,23H2